Geometry & MOs

Info

ID:	27807
PubChem CID:	823686
Reduced:	BrO2N3H10C12 (1)
Stoich.:	AB2C3D10E12 (1)
Weight, g/mol:	252.126263
ΔH_f, kcal/mol:	51.66
Dipole, Da:	2.47
IP(EA), eV:	-9.46(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-methylphenyl)-N-(pyridin-4-ylmethyl)prop-2-enamide

Drug info:

PubChemData

Smile

C1CC2=[N+](N(N=C2C(=O)[C@H]1Br)C3=CC=CC=C3)[O-]

DOS

IR

Vibrations